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2-(Dodecyloxy)ethyl phosphate(3:1)

CAS
97659-32-0
Catalog Number
ACM97659320
Category
Other Products
Molecular Weight
735.109742 [g/mol]
Molecular Formula
C42H87O7P

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Specification

Synonyms
EINECS 307-435-8;
IUPAC Name
tris(2-dodecoxyethyl) phosphate
Canonical SMILES
CCCCCCCCCCCCOCCOP(=O)(OCCOCCCCCCCCCCCC)OCCOCCCCCCCCCCCC
InChI Key
KIUSYSLYLPVJQT-UHFFFAOYSA-N
Boiling Point
719.5ºC at 760 mmHg
Flash Point
401.2ºC
Density
0.937g/cm³
EC Number
307-435-8
Exact Mass
734.61900
H-Bond Acceptor
7
H-Bond Donor
0
What is the molecular formula of 2-(Dodecyloxy)ethyl phosphate(3:1)?

The molecular formula is C42H87O7P.

When was the compound created and modified in PubChem?

The compound was created on 2009-08-20 and modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is tris(2-dodecoxyethyl) phosphate.

What is the InChIKey of the compound?

The InChIKey is KIUSYSLYLPVJQT-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does the compound have?

The compound has 7 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 72.4 Å2.

What is the formal charge of the compound?

The formal charge of the compound is 0.

How many rotatable bond counts does the compound have?

The compound has 45 rotatable bond counts.

What is the molecular weight of the compound?

The molecular weight is 735.1 g/mol.

What is the canonical SMILES of the compound?

The canonical SMILES is CCCCCCCCCCCCOCCOP(=O)(OCCOCCCCCCCCCCCC)OCCOCCCCCCCCCCCC.

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